srDFT_G2/G09/Molecules/vdz/CH2_1A1.inp

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2019-03-27 11:25:55 +01:00
#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
0,1
C
H,1,CH
H,1,CH,2,HCH
CH=1.11792921
HCH=99.85526193